bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide

C99H99Fe3I2N17O10U2+ — CID 139052352

IUPACbis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide
SMILES[Fe+3].[Fe+3].[Fe+3].[I-].[I-].[O-2].[O-2].[O-2].[O-2].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[U+4].[U+4].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C27H30N4O3.9C5H5N.3Fe.2HI.4O.2U/c2*32-25-10-4-1-7-22(25)19-28-13-16-31(17-14-29-20-23-8-2-5-11-26(23)33)18-15-30-21-24-9-3-6-12-27(24)34;9*1-2-4-6-5-3-1;;;;;;;;;;;/h2*1-12,19-21,32-34H,13-18H2;9*1-5H;;;;2*1H;;;;;;/q;;;;;;;;;;;3*+3;;;4*-2;2*+4/p-8/b2*28-19+,29-20+,30-21+;;;;;;;;;;;;;;;;;;;;
InChIKeyPIOAINIYVXBPHG-FPGXRVFBSA-F
MW2584.39 g/mol
LogP6.99
Rot. Bonds24

About bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide

bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide (PubChem CID 139052352) has the molecular formula C99H99Fe3I2N17O10U2+ and a molecular weight of 2584.39 g/mol. Its IUPAC name is bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide.

Molecular Properties

Compound Namebis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide
PubChem CID139052352
Molecular FormulaC99H99Fe3I2N17O10U2+
Molecular Weight2584.39 g/mol
Exact Mass2583.49
IUPAC Namebis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide
SMILES[Fe+3].[Fe+3].[Fe+3].[I-].[I-].[O-2].[O-2].[O-2].[O-2].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[U+4].[U+4].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C27H30N4O3.9C5H5N.3Fe.2HI.4O.2U/c2*32-25-10-4-1-7-22(25)19-28-13-16-31(17-14-29-20-23-8-2-5-11-26(23)33)18-15-30-21-24-9-3-6-12-27(24)34;9*1-2-4-6-5-3-1;;;;;;;;;;;/h2*1-12,19-21,32-34H,13-18H2;9*1-5H;;;;2*1H;;;;;;/q;;;;;;;;;;;3*+3;;;4*-2;2*+4/p-8/b2*28-19+,29-20+,30-21+;;;;;;;;;;;;;;;;;;;;
InChIKeyPIOAINIYVXBPHG-FPGXRVFBSA-F
XLogP6.99
TPSA449.01 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002584.39
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium
CID 139052350
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);hexane;bis(iron(3+));tetrakis(oxygen(2-));octakis(pyridine);bis(uranium(4+))
CID 139052353
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide
CID 139052354
Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139057719
Dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate
CID 139117844
Benzene;tetrakis(2-[[4,7-bis[[3-(2,2-dimethylpropyl)-5-methyl-2-oxidophenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-6-(2,2-dimethylpropyl)-4-methylphenolate);tetrakis(1-oxidopyridin-1-ium);tetrakis(oxygen(2-));uranium
CID 139123341
Bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide)
CID 139148858
tetracopper;bis(2-[[(3R)-4-[benzyl-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]amino]-3-oxidobutyl]iminomethyl]phenolate);diacetate;dihexafluorophosphate
CID 139154311
2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;cobalt(3+);pentakis(pyridine);uranium(3+)
CID 139171050
2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide
CID 139171053
Tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+))
CID 139184510
(mu-4,4'-bipyridine-N,N')bis(N,N'-ethylene-bis(salicylaldiminato))dizinc(II) methanol solvate
CID 139206902

Frequently Asked Questions

What is the IUPAC name of bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide?
The IUPAC name of bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide (CID 139052352) is bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide.
What is the SMILES notation for bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide?
The canonical SMILES for bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide is [Fe+3].[Fe+3].[Fe+3].[I-].[I-].[O-2].[O-2].[O-2].[O-2].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CCN(CC/N=C/c1ccccc1[O-])CC/N=C/c1ccccc1[O-].[U+4].[U+4].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide?
The InChIKey is PIOAINIYVXBPHG-FPGXRVFBSA-F. The full InChI is InChI=1S/2C27H30N4O3.9C5H5N.3Fe.2HI.4O.2U/c2*32-25-10-4-1-7-22(25)19-28-13-16-31(17-14-29-20-23-8-2-5-11-26(23)33)18-15-30-21-24-9-3-6-12-27(24)34;9*1-2-4-6-5-3-1;;;;;;;;;;;/h2*1-12,19-21,32-34H,13-18H2;9*1-5H;;;;2*1H;;;;;;/q;;;;;;;;;;;3*+3;;;4*-2;2*+4/p-8/b2*28-19+,29-20+,30-21+;;;;;;;;;;;;;;;;;;;;.
What are the key properties of bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide?
bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide has a molecular weight of 2584.39 g/mol, XLogP of 6.99, 24 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide is sourced from PubChem (CID 139052352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).